Diffusion of hydrogen in crystalline silicon

Details Diffusion of hydrogen in crystalline silicon Diffusion of hydrogen in crystalline silicon

1999-08-09

arxiv.org/abs/cond-mat/9908136v1

Physics

Condensed Matter

Materials Science

4 pages, including 5 postscript figures; submitted to Phys. Rev. B Brief Report

Scientific paper

10.1103/PhysRevB.61.9895

The coefficient of diffusion of hydrogen in crystalline silicon is calculated using tight-binding molecular dynamics. Our results are in good quantitative agreement with an earlier study by Panzarini and Colombo [Phys. Rev. Lett. 73, 1636 (1994)]. However, while our calculations indicate that long jumps dominate over single hops at high temperatures, no abrupt change in the diffusion coefficient can be observed with decreasing temperature. The (classical) Arrhenius diffusion parameters, as a consequence, should extrapolate to low temperatures.

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